| CAS Number | 1375069-18-3 |
| Catalog Number | AG0013FP(AGN-PC-0WRA8H) |
| Chemical Name | (4-{3-[(Pyrrolidin-1-yl)carbonyl]phenyl}phenyl)acetic acid |
| IUPAC Name | 2-[4-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C19H19NO3/c21-18(22)12-14-6-8-15(9-7-14)16-4-3-5-17(13-16)19(23)20-10-1-2-11-20/h3-9,13H,1-2,10-12H2,(H,21,22) |
| InChI Key | NBHYNYGABCNOFM-UHFFFAOYSA-N |
| MDL Number | MFCD22205788 |
| Molecular Formula | C19H19NO3 |
| Molecular Weight | 309.3591 |
| SMILES | OC(=O)Cc1ccc(cc1)c1cccc(c1)C(=O)N1CCCC1 |
| Synonyms | 1375069-18-3,
(4-{3-[(Pyrrolidin-1-yl)carbonyl]phenyl}phenyl)acetic acid,
(4-(3-[(PYRROLIDIN-1-YL)CARBONYL]PHENYL)PHENYL)ACETIC ACID,
2-(3'-(Pyrrolidine-1-carbonyl)-[1,1'-biphenyl]-4-yl)acetic acid,
ACMC-209cdo,
CTK8B0668,
DTXSID60742999,
ANW-20314,
MFCD22205788,
ZINC85477241,
AKOS024438524,
TC-109059,
K-4447,
[1,1'-Biphenyl]-4-acetic acid, 3'-(1-pyrrolidinylcarbonyl)-,
[3'-(Pyrrolidine-1-carbonyl)[1,1'-biphenyl]-4-yl]acetic acid,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.365g/mol |
| Monoisotopic Mass | 309.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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